5-[2-ethyl-4-[5-[2-(ethylamino)-6-methylpyrimidin-4-yl]-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]-2,4-dihydroxypentanamide

C23H30N6O5 — CID 68735300

IUPAC5-[2-ethyl-4-[5-[2-(ethylamino)-6-methylpyrimidin-4-yl]-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]-2,4-dihydroxypentanamide
SMILESCCNc1nc(C)cc(-c2nc(-c3cc(C)c(OCC(O)CC(O)C(N)=O)c(CC)c3)no2)n1
InChIInChI=1S/C23H30N6O5/c1-5-14-9-15(7-12(3)19(14)33-11-16(30)10-18(31)20(24)32)21-28-22(34-29-21)17-8-13(4)26-23(27-17)25-6-2/h7-9,16,18,30-31H,5-6,10-11H2,1-4H3,(H2,24,32)(H,25,26,27)
InChIKeyZRFYYJOIVUZZBA-UHFFFAOYSA-N
MW470.53 g/mol
LogP1.78
Rot. Bonds11

About 5-[2-ethyl-4-[5-[2-(ethylamino)-6-methylpyrimidin-4-yl]-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]-2,4-dihydroxypentanamide

5-[2-ethyl-4-[5-[2-(ethylamino)-6-methylpyrimidin-4-yl]-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]-2,4-dihydroxypentanamide (PubChem CID 68735300) has the molecular formula C23H30N6O5 and a molecular weight of 470.53 g/mol. Its IUPAC name is 5-[2-ethyl-4-[5-[2-(ethylamino)-6-methylpyrimidin-4-yl]-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]-2,4-dihydroxypentanamide.

Molecular Properties

Compound Name5-[2-ethyl-4-[5-[2-(ethylamino)-6-methylpyrimidin-4-yl]-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]-2,4-dihydroxypentanamide
PubChem CID68735300
Molecular FormulaC23H30N6O5
Molecular Weight470.53 g/mol
Exact Mass470.23
IUPAC Name5-[2-ethyl-4-[5-[2-(ethylamino)-6-methylpyrimidin-4-yl]-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]-2,4-dihydroxypentanamide
SMILESCCNc1nc(C)cc(-c2nc(-c3cc(C)c(OCC(O)CC(O)C(N)=O)c(CC)c3)no2)n1
InChIInChI=1S/C23H30N6O5/c1-5-14-9-15(7-12(3)19(14)33-11-16(30)10-18(31)20(24)32)21-28-22(34-29-21)17-8-13(4)26-23(27-17)25-6-2/h7-9,16,18,30-31H,5-6,10-11H2,1-4H3,(H2,24,32)(H,25,26,27)
InChIKeyZRFYYJOIVUZZBA-UHFFFAOYSA-N
XLogP1.78
TPSA169.51 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 51.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 5-[2-ethyl-4-[5-[2-(ethylamino)-6-methylpyrimidin-4-yl]-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]-2,4-dihydroxypentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-ethyl-4-[5-[2-(ethylamino)-6-methylpyrimidin-4-yl]-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]-2,4-dihydroxypentanamide?
The IUPAC name of 5-[2-ethyl-4-[5-[2-(ethylamino)-6-methylpyrimidin-4-yl]-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]-2,4-dihydroxypentanamide (CID 68735300) is 5-[2-ethyl-4-[5-[2-(ethylamino)-6-methylpyrimidin-4-yl]-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]-2,4-dihydroxypentanamide.
What is the SMILES notation for 5-[2-ethyl-4-[5-[2-(ethylamino)-6-methylpyrimidin-4-yl]-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]-2,4-dihydroxypentanamide?
The canonical SMILES for 5-[2-ethyl-4-[5-[2-(ethylamino)-6-methylpyrimidin-4-yl]-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]-2,4-dihydroxypentanamide is CCNc1nc(C)cc(-c2nc(-c3cc(C)c(OCC(O)CC(O)C(N)=O)c(CC)c3)no2)n1.
What is the InChIKey of 5-[2-ethyl-4-[5-[2-(ethylamino)-6-methylpyrimidin-4-yl]-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]-2,4-dihydroxypentanamide?
The InChIKey is ZRFYYJOIVUZZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O5/c1-5-14-9-15(7-12(3)19(14)33-11-16(30)10-18(31)20(24)32)21-28-22(34-29-21)17-8-13(4)26-23(27-17)25-6-2/h7-9,16,18,30-31H,5-6,10-11H2,1-4H3,(H2,24,32)(H,25,26,27).
What are the key properties of 5-[2-ethyl-4-[5-[2-(ethylamino)-6-methylpyrimidin-4-yl]-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]-2,4-dihydroxypentanamide?
5-[2-ethyl-4-[5-[2-(ethylamino)-6-methylpyrimidin-4-yl]-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]-2,4-dihydroxypentanamide has a molecular weight of 470.53 g/mol, XLogP of 1.78, 11 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-ethyl-4-[5-[2-(ethylamino)-6-methylpyrimidin-4-yl]-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]-2,4-dihydroxypentanamide is sourced from PubChem (CID 68735300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).